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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02183469

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.7
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.71
NIT4-NITROANILINEC,D1RMH0.76
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.76
NIT4-NITROANILINEB1VBS0.76
NIT4-NITROANILINEC1V9T0.76
NIT4-NITROANILINEC,D1VBT0.76
NIT4-NITROANILINEB1LOP0.76
NIT4-NITROANILINEC,D1ZKF0.76
NIT4-NITROANILINEB1PIP0.76
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.73
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.72
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.75
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.77
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.7
XYD2,5-DIMETHYLANILINEA1L4L0.7
SANSULFANILAMIDEA1AJ00.74
TNL2,4,6-TRINITROTOLUENEA1GVR0.82
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.85
PNZP-NITRO-BENZYLAMINEA,B2C700.85
3NT3-NITROTOLUENEA,B2BMR0.82
3NT3-NITROTOLUENEA,B2HMO0.82
PRY2-PROPYL-ANILINEA1OWY0.71
NINDINITROPHENYLENEA1RSM0.76
NINDINITROPHENYLENEA1GVY0.76
NINDINITROPHENYLENEA1GW10.76
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.75
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
34A3,4-DIMETHYLANILINEA1L4K0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.9